Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | CASP1 | P29466 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | MPI | P34949 | 1/20 | 0.65 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.65 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | UBE2N | P61088 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9290371 | 0.91 | ALDH1A1 (0.61) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL6272260 | 0.89 | KEAP1 (0.65) | HPGDALDH1A1SMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL7130039 | 0.84 | HPGD (0.69) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL12561279 | 0.83 | KEAP1 (0.49) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL9720971 | 0.82 | HPGD (0.70) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL9290291 | 0.82 | KEAP1 (0.48) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL7131251 | 0.80 | ALDH1A1 (0.71) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL14590463 | 0.80 | HEXA (0.65) | HPGDALDH1A1SMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL7071975 | 0.80 | ALDH1A1 (0.66) | HPGDCASP1ALDH1A1MPICACNA1B | |
| SCHEMBL9290383 | 0.80 | HEXA (0.78) | HPGDCASP1ALDH1A1MPICACNA1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667303-B1 | Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides | WYETH | 2003-12-23 | — | — | US | disclosed |
| US-3971807-A | BENZINDOLE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-27 | — | — | US | disclosed |